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Home > Boronic Acids > 913835-27-5
913835-27-5 | (4-Isopropylpyrimidin-5-yl)boronic acid
CAS No: 913835-27-5 Catalog No: AG003BW6 MDL No:MFCD08235084
Product Description
Catalog Number:
AG003BW6
Chemical Name:
(4-Isopropylpyrimidin-5-yl)boronic acid
CAS Number:
913835-27-5
Molecular Formula:
C7H11BN2O2
Molecular Weight:
165.9854
MDL Number:
MFCD08235084
IUPAC Name:
(4-propan-2-ylpyrimidin-5-yl)boronic acid
InChI:
InChI=1S/C7H11BN2O2/c1-5(2)7-6(8(11)12)3-9-4-10-7/h3-5,11-12H,1-2H3
InChI Key:
SMZXLPHORPDPKW-UHFFFAOYSA-N
SMILES:
CC(c1ncncc1B(O)O)C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.091g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.987g/mol
Monoisotopic Mass:
166.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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